N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide

C18H28FN3O3S — CID 59763302

IUPACN-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide
SMILESN[C@@H](CCN1CCOCC1CNS(=O)(=O)C1CC1)Cc1ccccc1F
InChIInChI=1S/C18H28FN3O3S/c19-18-4-2-1-3-14(18)11-15(20)7-8-22-9-10-25-13-16(22)12-21-26(23,24)17-5-6-17/h1-4,15-17,21H,5-13,20H2/t15-,16?/m0/s1
InChIKeyIJRKHBPDDFYRQB-VYRBHSGPSA-N
MW385.51 g/mol
LogP0.87
Rot. Bonds9

About N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide

N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 59763302) has the molecular formula C18H28FN3O3S and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID59763302
Molecular FormulaC18H28FN3O3S
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC NameN-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide
SMILESN[C@@H](CCN1CCOCC1CNS(=O)(=O)C1CC1)Cc1ccccc1F
InChIInChI=1S/C18H28FN3O3S/c19-18-4-2-1-3-14(18)11-15(20)7-8-22-9-10-25-13-16(22)12-21-26(23,24)17-5-6-17/h1-4,15-17,21H,5-13,20H2/t15-,16?/m0/s1
InChIKeyIJRKHBPDDFYRQB-VYRBHSGPSA-N
XLogP0.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide (CID 59763302) is N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide is N[C@@H](CCN1CCOCC1CNS(=O)(=O)C1CC1)Cc1ccccc1F.
What is the InChIKey of N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is IJRKHBPDDFYRQB-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H28FN3O3S/c19-18-4-2-1-3-14(18)11-15(20)7-8-22-9-10-25-13-16(22)12-21-26(23,24)17-5-6-17/h1-4,15-17,21H,5-13,20H2/t15-,16?/m0/s1.
What are the key properties of N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide?
N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 385.51 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3R)-3-amino-4-(2-fluorophenyl)butyl]morpholin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 59763302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).